Glycoside
GD127563
Name:
2-{2-hydroxy-4-[4-(3-hydroxy-5-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-6-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H42O18Smiles:
COc1cc(C2OCC3C(c4cc(O)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3C(c4cc(O)c(O)c(OC)c4)OCC23)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 714.67 | Num_heavy_atoms: | 50 |
| TPSA: | 276.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD48194
Formula: C20H22O8
Smiles:
COc1cc(C2OCC3C(c4cc(O)c(O)c(OC)c4)OCC23)cc(O)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
